Search Results - "Penev, Evgeni"
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1
Can Two-Dimensional Boron Superconduct?
Published in Nano letters (13-04-2016)“…Two-dimensional boron is expected to exhibit various structural polymorphs, all being metallic. Additionally, its small atomic mass suggests strong…”
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2
Elasticity, Flexibility, and Ideal Strength of Borophenes
Published in Advanced functional materials (03-03-2017)“…The mechanical properties of 2D boron—borophene—are studied by first‐principles calculations. The recently synthesized borophene with a 1/6 concentration of…”
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3
Polymorphism of Two-Dimensional Boron
Published in Nano letters (09-05-2012)“…The structural stability and diversity of elemental boron layers are evaluated by treating them as pseudoalloy B1–x ⬡ x , where ⬡ is a vacancy in the…”
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4
Two-dimensional materials: Polyphony in B flat
Published in Nature chemistry (01-06-2016)Get full text
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5
Probing the Synthesis of Two-Dimensional Boron by First-Principles Computations
Published in Angewandte Chemie International Edition (11-03-2013)“…Boron synthesis, in theory: Although two‐dimensional boron sheets have attracted considerable interest because of their theoretically predicted properties,…”
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Theoretical Prediction of Two-Dimensional Materials, Behavior, and Properties
Published in ACS nano (27-04-2021)“…Predictive modeling of two-dimensional (2D) materials is at the crossroad of two current rapidly growing interests: 2D materials per se, massively sought after…”
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7
Why nanotubes grow chiral
Published in Nature communications (16-09-2014)“…Carbon nanotubes hold enormous technological promise. It can only be harnessed if one controls their chirality, the feature of the tubular carbon topology that…”
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Mechanisms of Defect-Mediated Memristive Behavior in MoS 2 Monolayer
Published in Nano letters (03-10-2024)“…The switching dynamics of a Au∥V @MoS atomristor is explored by first-principles computations of the atomic-configuration energy and electron transport. It is…”
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9
Mechanisms of Defect-Mediated Memristive Behavior in MoS2 Monolayer
Published in Nano letters (03-10-2024)“…The switching dynamics of a Au∥VS2 @MoS2 atomristor is explored by first-principles computations of the atomic-configuration energy and electron transport. It…”
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10
Two-Dimensional Mono-Elemental Semiconductor with Electronically Inactive Defects: The Case of Phosphorus
Published in Nano letters (10-12-2014)“…The deep gap states created by defects in semiconductors typically deteriorate the performance of (opto)electronic devices. This has limited the applications…”
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11
Nucleobase-Bonded Graphene Nanoribbon Junctions: Electron Transport from First Principles
Published in ACS nano (25-10-2022)“…Carbon and hydrogen bonding constitute the backbone of life; in the form of graphene, possibly functionalized by DNA nucleobases, these hold promise for the…”
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12
Janus Segregation at the Carbon Nanotube–Catalyst Interface
Published in ACS nano (27-08-2019)“…The contact between a carbon nanotube (CNT) edge and a catalyst is a curvilinear interface of fundamental and practical importance. Here, the first-principles…”
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13
Universal Strength Scaling in Carbon Nanotube Bundles with Frictional Load Transfer
Published in ACS nano (26-01-2021)“…Carbon nanotubes (CNTs) individually display exceptional mechanical properties, but the strength of their mesoscale assemblies such as bundles has a…”
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14
Mechanical Efficiency of Photochromic Nanomotors, From First Principles
Published in Small (Weinheim an der Bergstrasse, Germany) (13-08-2024)“…Photochromic molecular motors hold promise for a multitude of potential applications in fields ranging from medicine to communications and structural repair…”
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15
Vacancy Clusters in Graphane as Quantum Dots
Published in ACS nano (22-06-2010)“…Complementary electronic properties and a tendency to form sharp graphene−graphane interfaces open tantalizing possibilities for two-dimensional…”
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Carbonization with Misfusion: Fundamental Limits of Carbon-Fiber Strength Revisited
Published in Advanced materials (Weinheim) (01-12-2016)“…D‐loops, a new type of structural defect in carbon fibers, are presented, which have highly detrimental effect on their mechanical properties and can define a…”
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17
Transient Kinetic Selectivity in Nanotubes Growth on Solid Co–W Catalyst
Published in Nano letters (08-08-2018)“…Solid Co–W catalysts have been shown to yield single-walled carbon nanotubes (CNT) with high selectivity, simplistically attributed to CNT-catalyst symmetry…”
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18
Floating Fe Catalyst Formation and Effects of Hydrogen Environment in the Growth of Carbon Nanotubes
Published in The journal of physical chemistry letters (11-05-2023)“…Hydrocarbon conversion to advanced carbon nanomaterials with concurrent hydrogen production holds promise for clean energy technologies. This has been largely…”
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Stable Low-Dimensional Boron Chalcogenides from Planar Structural Motifs
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (22-07-2021)“…There has been growing interest in searching for new low-dimensional (low-D) materials for nanoelectronics and energy applications. Most materials have their…”
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20
Honeycomb boron: alchemy on aluminum pan?
Published in Science bulletin (Beijing) (15-03-2018)Get full text
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